SCHEMBL18624752

SCHEMBL18624752

CC(C)(C)C(=O)Oc1cncnc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.53
HCAR2 Q8TDS4 1/20 0.41
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16005701 0.77 KMT2A (0.54) ELANEALDH1A1THRB
SCHEMBL16005447 0.77 ELANE (0.47) ELANEHCAR2CA2
SCHEMBL29473372 0.77 KMT2A (0.54) ELANEALDH1A1THRB
SCHEMBL28245982 0.76 KMT2A (0.53) ELANEALDH1A1THRB
SCHEMBL1921878 0.76 LMNA (0.46) ELANEHCAR2ALDH1A1
SCHEMBL21341748 0.75 ELANE (0.64) ELANE
SCHEMBL22369614 0.75 ELANE (0.86) ELANE
SCHEMBL9925703 0.75 ELANE (0.64) ELANECA2
SCHEMBL29214584 0.75 HCAR2 (0.38) HCAR2ALDH1A1THRB
SCHEMBL28029118 0.74 LMNA (0.45) ELANEHCAR2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266521-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2019-04-23 US disclosed
US-20180162841-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-06-14 US disclosed
US-20180162841-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-06-14 US disclosed
US-9938257-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2018-04-10 US disclosed
US-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-16 US disclosed
US-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB ELANE 2068/4885HCAR2 2493/4885CA2 3626/4885
US-20180162841-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB ELANE 2068/4885HCAR2 2493/4885CA2 3626/4885
US-10266521-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB ELANE 2068/4885HCAR2 2493/4885CA2 3626/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.